SCHEMBL18117754

SCHEMBL18117754

COc1ccc([C@H]2CC(=O)N(CCO[Si](C)(C)C(C)(C)C)C2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLA2G7 Q13093 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
PDE4A P27815 2/20 0.39
PDE4B Q07343 2/20 0.39
PDE4C Q08493 2/20 0.39
PDE4D Q08499 2/20 0.39
ADRA1A P35348 1/20 0.39
THRB P10828 1/20 0.39
DUT P33316 2/20 0.38
PTGS1 P23219 1/20 0.38
PTGS2 P35354 1/20 0.38
TSHR P16473 2/20 0.37
HPGD P15428 1/20 0.37
KMT2A Q03164 3/20 0.36
DRD2 P14416 1/20 0.36
FPR1 P21462 1/20 0.36
BRD4 O60885 1/20 0.36
MEN1 O00255 2/20 0.36
ALDH1A1 P00352 1/20 0.36
MAPK1 P28482 1/20 0.36

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL18117761 0.81 PLA2G7 (0.38) PLA2G7SMN1; SMN2DUTKMT2AFPR1
SCHEMBL19559539 0.78 FPR1 (0.53) PLA2G7SMN1; SMN2PDE4APDE4BPDE4C
SCHEMBL20041858 0.76 SMN1; SMN2 (0.49) SMN1; SMN2PDE4APDE4BPDE4CPDE4D
SCHEMBL19559408 0.76 SMN1; SMN2 (0.49) SMN1; SMN2PDE4APDE4BPDE4CPDE4D
SCHEMBL21389306 0.75 CHRM2 (0.38) PLA2G7DUT
SCHEMBL15984672 0.75 DUT (0.36) DUT
SCHEMBL20041789 0.73 FPR2 (0.49) PDE4BFPR1ALDH1A1
SCHEMBL22166705 0.73 FPR2 (0.49) PDE4BFPR1ALDH1A1
SCHEMBL18106574 0.73 FPR2 (0.49) PDE4BFPR1ALDH1A1
SCHEMBL18117738 0.73 FPR2 (0.49) PDE4BFPR1ALDH1A1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3305763-B1 DEUTERATED OR ISOTOPICALLY LABELED UREA DERIVATIVES OR PHARMACOLOGICALLY ACCEPTABLE SALTS THEREOF USEFUL AS FPRL-1 AGONISTS KYORIN SEIYAKU KK (JP) 2019-07-24 EP disclosed
EP-3305763-A1 DEUTERATED OR ISOTOPICALLY LABELED UREA DERIVATIVES OR PHARMACOLOGICALLY ACCEPTABLE SALTS THEREOF USEFUL AS FPRL-1 AGONISTS Kyorin Pharmaceutical Co., Ltd. (JP) 2018-04-11 EP disclosed
EP-3075726-B1 UREA DERIVATIVES OR PHARMACOLOGICALLY ACCEPTABLE SALTS THEREOF USEFUL AS FORMYL PEPTIDE RECEPTOR LIKE 1 (FPRL-1) AGONISTS KYORIN SEIYAKU KK (JP) 2017-11-08 EP disclosed
EP-3075726-A1 UREA DERIVATIVE OR PHARMACOLOGICALLY ACCEPTABLE SALT THEREOF Kyorin Pharmaceutical Co., Ltd. (JP) 2016-10-05 EP disclosed